G4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C3 | sing | 1.51Å | 1.52Å | |
| C | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N4 | sing | 1.40Å | 1.42Å | |
| N4 | C18 | sing | 1.39Å | 1.40Å | |
| C18 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | N2 | sing | 1.37Å | 1.34Å | Aromatic |
| N3 | N1 | sing | 1.28Å | 1.27Å | Aromatic |
| N2 | C17 | sing | 1.37Å | 1.33Å | Aromatic |
| N1 | C17 | doub | 1.31Å | 1.34Å | Aromatic |
| C17 | C11 | sing | 1.48Å | 1.46Å | |
| C13 | C11 | doub | 1.40Å | 1.35Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.35Å | Aromatic |
| C16 | O | sing | 1.36Å | 1.36Å | |
| O | C7 | sing | 1.36Å | 1.35Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | N | doub | 1.32Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C10 | sing | 1.32Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.08Å | 1.08Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C1 | C | 118.2° | 120.0° |
| C20 | C1 | C3 | 121.6° | 119.9° |
| C1 | C20 | H7 | 109.5° | 109.5° |
| C1 | C20 | H8 | 109.5° | 109.5° |
| C1 | C20 | H9 | 109.5° | 109.4° |
| C | C1 | C3 | 120.2° | 120.1° |
| C1 | C | C2 | 119.8° | 120.2° |
| C1 | C | H13 | 120.1° | 119.9° |
| C1 | C3 | C19 | 118.2° | 120.0° |
| C1 | C3 | C5 | 120.1° | 119.9° |
| C19 | C3 | C5 | 121.7° | 120.0° |
| C3 | C19 | H10 | 109.5° | 109.5° |
| C3 | C19 | H11 | 109.5° | 109.5° |
| C3 | C19 | H12 | 109.5° | 109.5° |
| C | C2 | C4 | 120.4° | 120.1° |
| C | C2 | H1 | 119.8° | 120.0° |
| C2 | C | H13 | 120.1° | 119.9° |
| C3 | C5 | C4 | 118.7° | 119.8° |
| C3 | C5 | N4 | 119.8° | 120.1° |
| C2 | C4 | C5 | 120.9° | 119.9° |
| C4 | C2 | H1 | 119.8° | 120.0° |
| C2 | C4 | H2 | 119.5° | 120.0° |
| C4 | C5 | N4 | 121.3° | 120.1° |
| C5 | C4 | H2 | 119.5° | 120.0° |
| C5 | N4 | C18 | 131.6° | 120.0° |
| C5 | N4 | H14 | 114.2° | 120.0° |
| N4 | C18 | N3 | 121.1° | 126.4° |
| N4 | C18 | N2 | 129.2° | 126.4° |
| C18 | N4 | H14 | 114.2° | 120.0° |
| N3 | C18 | N2 | 109.7° | 107.3° |
| C18 | N3 | N1 | 108.4° | 110.1° |
| C18 | N2 | C17 | 104.1° | 105.6° |
| C18 | N2 | H6 | 128.0° | 127.1° |
| N3 | N1 | C17 | 108.3° | 109.9° |
| N2 | C17 | N1 | 109.5° | 107.1° |
| N2 | C17 | C11 | 126.4° | 126.5° |
| C17 | N2 | H6 | 128.0° | 127.2° |
| N1 | C17 | C11 | 124.0° | 126.4° |
| C17 | C11 | C13 | 117.8° | 120.0° |
| C17 | C11 | C12 | 122.4° | 120.1° |
| C11 | C13 | C15 | 121.3° | 119.9° |
| C13 | C11 | C12 | 119.7° | 119.9° |
| C11 | C13 | H15 | 119.4° | 120.0° |
| C13 | C15 | C16 | 118.9° | 120.1° |
| C15 | C13 | H15 | 119.4° | 120.1° |
| C13 | C15 | H16 | 120.6° | 120.0° |
| C11 | C12 | C14 | 119.2° | 119.9° |
| C11 | C12 | H18 | 120.4° | 120.0° |
| C15 | C16 | C14 | 120.5° | 120.2° |
| C15 | C16 | O | 120.8° | 119.9° |
| C16 | C15 | H16 | 120.5° | 119.9° |
| C12 | C14 | C16 | 120.4° | 120.1° |
| C12 | C14 | H17 | 119.8° | 120.0° |
| C14 | C12 | H18 | 120.4° | 120.0° |
| C14 | C16 | O | 118.5° | 119.9° |
| C16 | C14 | H17 | 119.8° | 120.0° |
| C16 | O | C7 | 123.7° | 118.0° |
| O | C7 | C6 | 121.2° | 120.9° |
| O | C7 | C9 | 117.5° | 120.8° |
| C7 | C6 | C8 | 118.9° | 119.1° |
| C6 | C7 | C9 | 121.3° | 118.3° |
| C7 | C6 | H3 | 120.5° | 120.4° |
| C6 | C8 | N | 119.8° | 120.8° |
| C8 | C6 | H3 | 120.5° | 120.5° |
| C6 | C8 | H4 | 120.1° | 119.6° |
| C7 | C9 | C10 | 119.3° | 119.1° |
| C7 | C9 | H5 | 120.4° | 120.5° |
| C8 | N | C10 | 121.2° | 121.9° |
| N | C8 | H4 | 120.1° | 119.6° |
| C9 | C10 | N | 119.4° | 120.8° |
| C10 | C9 | H5 | 120.4° | 120.4° |
| C9 | C10 | H19 | 120.3° | 119.6° |
| N | C10 | H19 | 120.3° | 119.6° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C1 | C | C3 | 179.9° | 179.7° |
| C20 | C1 | C3 | C19 | 0.0° | 0.3° |
| C20 | C1 | C | C2 | 179.9° | 179.7° |
| C20 | C1 | C3 | C5 | 179.6° | 179.7° |
| C1 | C20 | H7 | H8 | 120.0° | 120.1° |
| C1 | C20 | H7 | H9 | 120.0° | 119.9° |
| C1 | C20 | H8 | H9 | 120.0° | 120.0° |
| C20 | C1 | C | H13 | 0.1° | 0.4° |
| C | C1 | C3 | C19 | 179.9° | 180.0° |
| C1 | C | C2 | H13 | 180.0° | 179.9° |
| C | C1 | C3 | C5 | 0.3° | 0.1° |
| C1 | C | C2 | C4 | 0.4° | 0.1° |
| C1 | C | C2 | H1 | 179.6° | 180.0° |
| C | C1 | C20 | H7 | 89.9° | 90.0° |
| C | C1 | C20 | H8 | 150.1° | 150.0° |
| C | C1 | C20 | H9 | 30.1° | 30.0° |
| C1 | C3 | C19 | C5 | 179.5° | 180.0° |
| C3 | C1 | C | C2 | 0.2° | 0.1° |
| C1 | C3 | C5 | C4 | 0.6° | 0.1° |
| C1 | C3 | C5 | N4 | 175.1° | 180.0° |
| C3 | C1 | C20 | H7 | 89.9° | 90.4° |
| C3 | C1 | C20 | H8 | 30.1° | 29.7° |
| C3 | C1 | C20 | H9 | 150.1° | 149.7° |
| C1 | C3 | C19 | H10 | 89.8° | 90.0° |
| C1 | C3 | C19 | H11 | 150.2° | 150.0° |
| C1 | C3 | C19 | H12 | 30.2° | 30.1° |
| C3 | C1 | C | H13 | 179.8° | 180.0° |
| C19 | C3 | C5 | C4 | 179.9° | 180.0° |
| C19 | C3 | C5 | N4 | 5.3° | 0.0° |
| C3 | C19 | H10 | H11 | 120.0° | 120.1° |
| C3 | C19 | H10 | H12 | 120.0° | 120.0° |
| C3 | C19 | H11 | H12 | 120.0° | 120.0° |
| C | C2 | C4 | H1 | 180.0° | 179.9° |
| C | C2 | C4 | C5 | 0.1° | 0.1° |
| C | C2 | C4 | H2 | 179.9° | 180.0° |
| C3 | C5 | C4 | C2 | 0.4° | 0.1° |
| C3 | C5 | C4 | N4 | 174.4° | 179.9° |
| C3 | C5 | N4 | C18 | 152.6° | 172.9° |
| C3 | C5 | C4 | H2 | 179.6° | 180.0° |
| C5 | C3 | C19 | H10 | 89.7° | 90.0° |
| C5 | C3 | C19 | H11 | 30.3° | 30.0° |
| C5 | C3 | C19 | H12 | 150.3° | 150.0° |
| C3 | C5 | N4 | H14 | 27.4° | 7.1° |
| C2 | C4 | C5 | H2 | 180.0° | 179.9° |
| C2 | C4 | C5 | N4 | 174.9° | 180.0° |
| C4 | C2 | C | H13 | 179.6° | 180.0° |
| C4 | C5 | N4 | C18 | 21.8° | 7.1° |
| C5 | C4 | C2 | H1 | 179.9° | 180.0° |
| C4 | C5 | N4 | H14 | 158.2° | 172.8° |
| C5 | N4 | C18 | H14 | 180.0° | 179.9° |
| C5 | N4 | C18 | N3 | 175.0° | 5.3° |
| C5 | N4 | C18 | N2 | 2.7° | 174.7° |
| N4 | C5 | C4 | H2 | 5.1° | 0.1° |
| N4 | C18 | N3 | N2 | 178.0° | 180.0° |
| N4 | C18 | N3 | N1 | 176.6° | 180.0° |
| N4 | C18 | N2 | C17 | 175.2° | 180.0° |
| N4 | C18 | N2 | H6 | 4.8° | 0.2° |
| N3 | C18 | N2 | C17 | 2.6° | 0.0° |
| C18 | N3 | N1 | C17 | 0.3° | 0.0° |
| N3 | C18 | N2 | H6 | 177.4° | 179.8° |
| N3 | C18 | N4 | H14 | 5.0° | 174.7° |
| N2 | C18 | N3 | N1 | 1.5° | 0.0° |
| C18 | N2 | C17 | H6 | 180.0° | 179.8° |
| C18 | N2 | C17 | N1 | 2.8° | 0.0° |
| C18 | N2 | C17 | C11 | 178.9° | 179.7° |
| N2 | C18 | N4 | H14 | 177.3° | 5.4° |
| N3 | N1 | C17 | N2 | 2.1° | 0.0° |
| N3 | N1 | C17 | C11 | 178.3° | 179.7° |
| N2 | C17 | N1 | C11 | 176.2° | 179.7° |
| N2 | C17 | C11 | C13 | 41.3° | 0.2° |
| N2 | C17 | C11 | C12 | 143.0° | 180.0° |
| N1 | C17 | C11 | C13 | 134.3° | 179.9° |
| N1 | C17 | C11 | C12 | 41.4° | 0.3° |
| N1 | C17 | N2 | H6 | 177.2° | 179.8° |
| C17 | C11 | C13 | C12 | 175.8° | 179.8° |
| C17 | C11 | C13 | C15 | 177.1° | 179.9° |
| C17 | C11 | C12 | C14 | 177.3° | 179.8° |
| C11 | C17 | N2 | H6 | 1.1° | 0.0° |
| C17 | C11 | C13 | H15 | 2.9° | 0.0° |
| C17 | C11 | C12 | H18 | 2.7° | 0.0° |
| C11 | C13 | C15 | H15 | 180.0° | 180.0° |
| C11 | C13 | C15 | C16 | 1.6° | 0.1° |
| C13 | C11 | C12 | C14 | 1.7° | 0.5° |
| C11 | C13 | C15 | H16 | 178.3° | 180.0° |
| C13 | C11 | C12 | H18 | 178.3° | 179.8° |
| C15 | C13 | C11 | C12 | 1.2° | 0.2° |
| C13 | C15 | C16 | H16 | 180.0° | 179.9° |
| C13 | C15 | C16 | C14 | 2.5° | 0.1° |
| C13 | C15 | C16 | O | 177.0° | 180.0° |
| C11 | C12 | C14 | H18 | 180.0° | 179.8° |
| C11 | C12 | C14 | C16 | 2.6° | 0.5° |
| C12 | C11 | C13 | H15 | 178.8° | 179.8° |
| C11 | C12 | C14 | H17 | 177.4° | 179.8° |
| C15 | C16 | C14 | C12 | 3.0° | 0.2° |
| C15 | C16 | C14 | O | 174.6° | 180.0° |
| C15 | C16 | O | C7 | 92.0° | 112.5° |
| C16 | C15 | C13 | H15 | 178.4° | 179.9° |
| C15 | C16 | C14 | H17 | 176.9° | 180.0° |
| C12 | C14 | C16 | H17 | 180.0° | 179.8° |
| C12 | C14 | C16 | O | 177.7° | 179.8° |
| C14 | C16 | O | C7 | 82.7° | 67.5° |
| C14 | C16 | C15 | H16 | 177.5° | 180.0° |
| C16 | C14 | C12 | H18 | 177.4° | 179.7° |
| C16 | O | C7 | C6 | 17.2° | 173.9° |
| C16 | O | C7 | C9 | 163.7° | 6.0° |
| O | C16 | C15 | H16 | 2.9° | 0.1° |
| O | C16 | C14 | H17 | 2.3° | 0.0° |
| O | C7 | C6 | C9 | 179.0° | 180.0° |
| O | C7 | C6 | C8 | 178.5° | 180.0° |
| O | C7 | C9 | C10 | 178.2° | 180.0° |
| O | C7 | C6 | H3 | 1.5° | 0.3° |
| O | C7 | C9 | H5 | 1.8° | 0.0° |
| C7 | C6 | C8 | H3 | 180.0° | 179.8° |
| C7 | C6 | C8 | N | 0.5° | 0.1° |
| C6 | C7 | C9 | C10 | 0.9° | 0.0° |
| C7 | C6 | C8 | H4 | 179.5° | 180.0° |
| C6 | C7 | C9 | H5 | 179.1° | 180.0° |
| C8 | C6 | C7 | C9 | 0.5° | 0.0° |
| C6 | C8 | N | H4 | 180.0° | 179.9° |
| C6 | C8 | N | C10 | 0.9° | 0.1° |
| C7 | C9 | C10 | H5 | 180.0° | 180.0° |
| C7 | C9 | C10 | N | 1.2° | 0.0° |
| C9 | C7 | C6 | H3 | 179.5° | 179.7° |
| C7 | C9 | C10 | H19 | 178.8° | 180.0° |
| C8 | N | C10 | C9 | 1.2° | 0.1° |
| N | C8 | C6 | H3 | 179.5° | 179.7° |
| C8 | N | C10 | H19 | 178.8° | 180.0° |
| C9 | C10 | N | H19 | 180.0° | 180.0° |
| C10 | N | C8 | H4 | 179.1° | 180.0° |
| N | C10 | C9 | H5 | 178.7° | 180.0° |
| H1 | C2 | C4 | H2 | 0.1° | 0.2° |
| H1 | C2 | C | H13 | 0.4° | 0.1° |
| H3 | C6 | C8 | H4 | 0.5° | 0.2° |
| H5 | C9 | C10 | H19 | 1.2° | 0.0° |
| H7 | C20 | H8 | H9 | 120.0° | 120.0° |
| H10 | C19 | H11 | H12 | 120.0° | 119.9° |
| H15 | C13 | C15 | H16 | 1.7° | 0.0° |
| H17 | C14 | C12 | H18 | 2.6° | 0.0° |
